3-(2-bromanyl-4-ethoxy-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(2-bromanyl-4-ethoxy-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(2-bromo-4-ethoxy-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(2-bromo-4-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(2-bromo-4-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(2-bromo-4-ethoxy-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C12H11BrN2O3 MolecularWeight: 311.13134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2=NNC(=C2)C(=O)O)Br

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2=NNC(=C2)C(=O)O)Br

InChI

InChI=1S/C12H11BrN2O3/c1-2-18-7-3-4-8(9(13)5-7)10-6-11(12(16)17)15-14-10/h3-6H,2H2,1H3,(H,14,15)(H,16,17)